1-Naphthalenesulfonic acid, 4-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-hydroxy-7-nitro-, cobalt complex

91144-26-2

CAS Name

Cobaltate(5-), bis[4-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-(hydroxy-κO)-3-sulfo-2-naphthalenyl]diazenyl-κN¹]-3-(hydroxy-κO)-7-nitro-1-naphthalenesulfonato(4-)]-, sodium (1:5)

Molecular Formula

C₄₆H₂₂Cl₂CoN₁₆O₂₀S₄.5Na

Other Names and Identifiers

InChI

InChI=1S/2C23H15ClN8O10S2.Co.5Na/c2*24-21-27-22(25)29-23(28-21)26-10-1-3-12-9(5-10)6-17(44(40,41)42)19(20(12)34)31-30-18-13-4-2-11(32(35)36)7-14(13)16(8-15(18)33)43(37,38)39;;;;;;/h2*1-8,33-34H,(H,37,38,39)(H,40,41,42)(H3,25,26,27,28,29);;;;;;/q;;+3;5*+1/p-8

InChIKey

InChIKey=DZVCEJUCRLEECP-UHFFFAOYSA-F

SMILES

S(=O)(=O)([O-])C1=C2N=[N]3[Co+3]45([N](C=6C([O-]4)=CC(S(=O)(=O)[O-])=C7C6C=CC(N(=O)=O)=C7)=NC=8C([O-]5)=C9C(=CC8S(=O)(=O)[O-])C=C(NC=%10N=C(Cl)N=C(N)N%10)C=C9)([O-]C2=C%11C(=C1)C=C(NC=%12N=C(Cl)N=C(N)N%12)C=C%11)[O-]C=%13C3=C%14C(=C(S(=O)(=O)[O-])C%13)C=C(N(=O)=O)C=C%14.[Na+]

Canonical SMILES

[Na+].O=N(=O)C=1C=CC=2C(C1)=C(C=C3[O-][Co+3]456([O-]C7=CC(=C8C=C(C=CC8=C7[N]5=NC=9C([O-]4)=C%10C=CC(=CC%10=CC9S(=O)(=O)[O-])NC=%11N=C(Cl)N=C(N%11)N)N(=O)=O)S(=O)(=O)[O-])[O-]C=%12C(N=[N]6C32)=C(C=C%13C=C(C=CC%13%12)NC=%14N=C(Cl)N=C(N%14)N)S(=O)(=O)[O-])S(=O)(=O)[O-]

Other Names for this Substance